SCHEMBL3119554

SCHEMBL3119554

O=C(O)c1ccc(N2CCCC2)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.61
MYC P01106 1/20 0.57
NR4A1 P22736 1/20 0.57
AVPR2 P30518 3/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
ATM Q13315 1/20 0.54
MRGPRX4 Q96LA9 1/20 0.52
TSHR P16473 2/20 0.52
CASP1 P29466 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 2/20 0.51
GAA P10253 2/20 0.51
KDM4E B2RXH2 1/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MAPT P10636 3/20 0.51
GFER P55789 1/20 0.51
SERPINE1 P05121 2/20 0.50
POLB P06746 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2301042 0.98 IP6K1 (0.59) IP6K1MYCNR4A1AVPR2MEN1
SCHEMBL15923351 0.97 MYC (0.57) IP6K1MYCNR4A1AVPR2MEN1
SCHEMBL15123245 0.86 IP6K1 (0.66) IP6K1MEN1KMT2AMRGPRX4TSHR
SCHEMBL5063205 0.86 AVPR2 (0.54) IP6K1AVPR2MEN1KMT2AATM
SCHEMBL2088694 0.85 ACLY (0.57) MYCNR4A1MEN1KMT2ATSHR
SCHEMBL14080465 0.85 ADRB1 (0.63) IP6K1MYCNR4A1TSHRCASP1
SCHEMBL15923279 0.85 RAB9A (0.56) IP6K1MYCNR4A1AVPR2TSHR
SCHEMBL3823637 0.84 KDM4E (0.58) IP6K1MYCNR4A1AVPR2MRGPRX4
Hydrochloric Acid SCHEMBL4890076 0.84 ACLY (0.56) MYCNR4A1MEN1KMT2ACASP1
Hydrochloric Acid SCHEMBL15929282 0.84 ADRB1 (0.61) IP6K1MYCNR4A1TSHRCASP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11390610-B2 Piperazine derivatives as MAGL inhibitors HOFFMANN-LA ROCHE INC. (US) 2022-07-19 US disclosed
US-11161858-B2 Boron-containing small molecules as antiprotozoal agents ANACOR PHARMACEUTICALS, INC. (US) 2021-11-02 US disclosed
EP-3694840-B1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS HOFFMANN LA ROCHE (CH) 2021-08-04 EP disclosed
US-20200299277-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2020-09-24 US disclosed
EP-3694840-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS Hoffmann-La Roche AG (CH) 2020-08-19 EP disclosed
US-20200247828-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, LLC 2020-08-06 US disclosed
CN-111247129-A Piperazine derivatives as MAGL inhibitors 豪夫迈·罗氏有限公司 2020-06-05 CN disclosed
US-10669291-B2 Boron-containing small molecules as antiprotozoal agents ANACOR PHARMACEUTICALS, INC. (US) 2020-06-02 US disclosed
US-20190135837-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, LLC 2019-05-09 US disclosed
WO-2019072785-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2019-04-18 WO disclosed
EP-1813603-A1 AROMATIC AMIDE DERIVATIVES, MEDICINAL COMPOSITIONS CONTAINING THE SAME, MEDICAL USES OF BOTH Kissei Pharmaceutical Co., Ltd. (JP) 2007-08-01 EP disclosed
US-7169772-B2 4,4-difluoro-1,2,3,4-tetrahydro-5H-1-benzazepine derivatives or salts thereof ASTELLAS PHARMA INC. (JP) 2007-01-30 US disclosed
US-20050004103-A1 4,4-Difluoro-1,2,3,4-tetrahydro-5h-1-benzazepine derivatives or salts thereof ASTELLAS PHARMA INC. (JP) 2005-01-06 US disclosed
EP-1445253-A1 4,4-DIFLUORO-1, 2, 3, 4-TETRAHYDRO-5H-1-BENZAZEPINE DERIVATIVES OR SALTS THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2004-08-11 EP disclosed
EP-0877736-B1 BENZAZEPINE DERIVATIVES WITH VASOPRESSIN AGONISTIC ACTIVITY OTSUKA PHARMA CO LTD (JP) 2004-04-21 EP disclosed
CN-1104419-C Benzazepine derivatives with vasopressin agonistic activity OTSUKA PHARMA CO LTD (JP) 2003-04-02 CN disclosed
US-6096736-A Benzazepine derivatives with vasopressin agonistic activity OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 2000-08-01 US disclosed
CN-1209121-A Benzazepine Derivatives OTSUKA PHARMA CO LTD (JP) 1999-02-24 CN disclosed
EP-0877736-A1 BENZAZEPINE DERIVATIVES WITH VASOPRESSIN AGONISTIC ACTIVITY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-11-18 EP disclosed
WO-1997022591-A1 BENZAZEPINE DERIVATIVES WITH VASOPRESSIN AGONISTIC ACTIVITY OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1997-06-26 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200247828-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP IP6K1 1907/4885MYC 2241/4885NR4A1 4097/4885
US-11390610-B2 Piperazine derivatives as MAGL inhibitors MAGI3, PYM1, MAG IP6K1 2564/4885MYC 1970/4885NR4A1 4749/4885
US-11161858-B2 Boron-containing small molecules as antiprotozoal agents BTD, BAD, BRI3BP IP6K1 1907/4885MYC 2241/4885NR4A1 4097/4885
US-20190135837-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP IP6K1 1907/4885MYC 2241/4885NR4A1 4097/4885
US-10669291-B2 Boron-containing small molecules as antiprotozoal agents BTD, BAD, BRI3BP IP6K1 1907/4885MYC 2241/4885NR4A1 4097/4885
US-20200299277-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS MAGI3, PYM1, MAG IP6K1 2564/4885MYC 1970/4885NR4A1 4749/4885
US-20050004103-A1 4,4-Difluoro-1,2,3,4-tetrahydro-5h-1-benzazepine derivatives or salts thereof AVPR2, AVPR1B, AVPR1A IP6K1 2505/4885MYC 2785/4885NR4A1 1678/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.